8SAB

Crystal Structure of Cystathionine beta lyase from Klebsiella aerogenes, PLP adduct with Alanine (C2 form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	87.325, 130.522, 82.366
Unit cell angles	90.00, 103.96, 90.00

Refinement procedure

Resolution	34.180 - 1.600
R-factor	0.1602
Rwork	0.159
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.772
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4918: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.930	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.091	1.036
Rmeas	0.100	1.136
Rpim	0.041	0.462
Total number of observations	667211	50244
Number of reflections	116919	8555
<I/σ(I)>	11.7	1.9
Completeness [%]	99.5
Redundancy	5.7	5.9
CC(1/2)	0.999	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpueus H12: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Tris/BICINE, pH 8.5, 20 mM DL-Glutamic acid, 20 mM DL-Alanine; 20 mM Glycine, 20 mM DL-Lysine monohydrochloride and 20 mM DL-Serine. 2mM PLP and 2mM Arginine added to protein prior to crystallization, KlaeA.00906.a.B1.PW39169 at 41.1 mg/mL. Plate: 13220 well H12 drop 3, Puck: PSL-0506, Cryo: Direct